dimethyl 5-[2-(3-oxidanylidenethiomorpholin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-oxidanylidenethiomorpholin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-ketothiomorpholin-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCS2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCS2)C(=O)OC

InChI

InChI=1S/C16H18N2O6S/c1-23-15(21)9-5-10(16(22)24-2)7-11(6-9)18-13(19)8-12-14(20)17-3-4-25-12/h5-7,12H,3-4,8H2,1-2H3,(H,17,20)(H,18,19)